| SpectraBase Compound ID | FFWZT808BSP |
|---|---|
| InChI | InChI=1S/C27H34O15/c1-26(35)17(41-18(30)7-5-12-4-6-15(37-2)14(29)8-12)9-27(36)13(23(34)38-3)11-39-25(22(26)27)42-24-21(33)20(32)19(31)16(10-28)40-24/h4-8,11,16-17,19-22,24-25,28-29,31-33,35-36H,9-10H2,1-3H3/b7-5+/t16-,17-,19-,20+,21-,22+,24+,25-,26-,27-/m1/s1 |
| InChIKey | RWRMUTIGNCFJFX-PZVMYPPOSA-N |
| Mol Weight | 598.6 g/mol |
| Molecular Formula | C27H34O15 |
| Exact Mass | 598.18977 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8g1i14wgiGq |
|---|---|
| Name | DURANTERECTOSIDE_A;LAMIIDE_7-O-TRANS-ISOFERULOYLESTER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H34O15 |
| InChI | InChI=1S/C27H34O15/c1-26(35)17(41-18(30)7-5-12-4-6-15(37-2)14(29)8-12)9-27(36)13(23(34)38-3)11-39-25(22(26)27)42-24-21(33)20(32)19(31)16(10-28)40-24/h4-8,11,16-17,19-22,24-25,28-29,31-33,35-36H,9-10H2,1-3H3/b7-5+/t16-,17-,19-,20+,21-,22+,24+,25-,26-,27-/m1/s1 |
| InChIKey | RWRMUTIGNCFJFX-PZVMYPPOSA-N |
| Literature Reference Author | Y.TAKEDA,Y.MORIMOTO,T.MATSUMOTO,C.OGIMI,E.HIRATA,A.TAKUSHI,H .OTSUKA |
| Literature Reference Citation | PHYTOCHEM.,39,829(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00024-2 |
| Molecular Weight | 598.558 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ9006 |